CID 15957713

Schembl6089236

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)CC2=CC(=CC=C2)OC)C(=O)C3=CC(=CC(=C3)C)C
InChI
InChI=1S/C23H24N2O4/c1-5-19-20(21(26)17-10-14(2)9-15(3)11-17)25(23(28)24-22(19)27)13-16-7-6-8-18(12-16)29-4/h6-12H,5,13H2,1-4H3,(H,24,27,28)
InChIKey
CZULUIBLCZQIHT-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylbenzoyl)-5-ethyl-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

392.1736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 194.7
[M+Na]+ 415.16282 204.4
[M-H]- 391.16632 201.5
[M+NH4]+ 410.20742 202.9
[M+K]+ 431.13676 198.2
[M+H-H2O]+ 375.17086 183.8
[M+HCOO]- 437.17180 213.1
[M+CH3COO]- 451.18745 223.4
[M+Na-2H]- 413.14827 193.8
[M]+ 392.17305 198.9
[M]- 392.17415 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe